Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.7200    0.3939    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318    1.0188   -0.3641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    0.5362   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5084    1.1655   -1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.6980   -1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984   -0.3755   -0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -1.0039    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353   -0.5506    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856   -0.8461   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3598   -0.0979    0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7680   -0.4918    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178    0.4054    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    0.2673    1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   -0.5973    0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827    1.0670    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132    2.0104   -1.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    1.2153   -1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -1.8482    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499   -1.0561    1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.7025   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -1.9439   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    0.9777    0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -0.3258    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132   -1.5204    0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7777    0.1784    0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4352    1.4261    0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers